M3C
Summary
| Name: | (2S)-2-AMINO-4-(METHYLSULFANYL)-1-(1,3-THIAZOL-2-YL)BUTANE-1,1-DIOL |
| Formula: | C8 H14 N2 O2 S2 |
| Formal charge: | 0 |
| Formula weight: | 234.339 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-2-amino-4-(methylsulfanyl)-1-(1,3-thiazol-2-yl)butane-1,1-diol |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-4-methylsulfanyl-1-(1,3-thiazol-2-yl)butane-1,1-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OC(O)(c1nccs1)C(N)CCSC |
| SMILES_CANONICAL | CACTVS | 3.341 | CSCC[C@H](N)C(O)(O)c1sccn1 |
| SMILES | CACTVS | 3.341 | CSCC[CH](N)C(O)(O)c1sccn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CSCC[C@@H](C(c1nccs1)(O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CSCCC(C(c1nccs1)(O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C8H14N2O2S2/c1-13-4-2-6(9)8(11,12)7-10-3-5-14-7/h3,5-6,11-12H,2,4,9H2,1H3/t6-/m0/s1 |
| InChIKey | InChI | 1.03 | NPPGNJAWTLSRQG-LURJTMIESA-N |
